SCHEMBL789566

SCHEMBL789566

Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1CCOP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.40
HTR1B P28222 2/20 0.37
HMGCR P04035 4/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LMNA P02545 2/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
NR1I2 O75469 1/20 0.31
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
POLB P06746 1/20 0.30
TP53 P04637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL790678 0.85 HTR1D (0.39) HTR1DHTR1BHMGCRPGK1PGK2
SCHEMBL28468152 0.79 HTR1D (0.44) HTR1DHTR1BTDP1LMNARARG
SCHEMBL28468151 0.76 HTR1D (0.46) HTR1DHTR1BTDP1LMNAPOLB
SCHEMBL1859058 0.76 HTR1D (0.42) HTR1DHTR1BTDP1LMNAPOLB
SCHEMBL30280619 0.76 HTR1D (0.42) HTR1DHTR1BTDP1LMNAPOLB
SCHEMBL26876706 0.75 HTR1D (0.55) HTR1DHTR1BTDP1LMNANR5A2
SCHEMBL4278881 0.73 HMGCR (0.48) HMGCRLMNANR5A2NR5A1NR1I2
SCHEMBL27943472 0.73 HMGCR (0.48) HMGCRLMNANR5A2NR5A1NR1I2
SCHEMBL603636 0.72 ALDH1A1 (0.36) HMGCRPGK1PGK2NR5A2NR5A1
SCHEMBL28428492 0.70 SRC (0.49) HTR1DHTR1BHMGCRPGK1PGK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260650-A Plastic composition containing at least one metal pigment, method for the production thereof and use thereof 埃卡特有限公司 2022-11-01 CN disclosed
CN-112969732-A Photocurable resin composition, sealing material for fuel cell, cured product of the same, fuel cell, and sealing method 三键有限公司 2021-06-15 CN disclosed
EP-2616473-B1 MIXTURES CONTAINING PHOSPHOROUS, PROCEDURES FOR THEIR PRODUCTION AND USE CLARIANT INT LTD (CH) 2016-11-09 EP disclosed
EP-2616473-A2 PHOSPHORUS-CONTAINING MIXTURES, PROCESSES FOR PREPARING THEM AND USE THEREOF Clariant Finance (BV) Limited (VG) 2013-07-24 EP disclosed
WO-2012034680-A2 PHOSPHORUS-CONTAINING MIXTURES, PROCESSES FOR PREPARING THEM AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2012-03-22 WO disclosed